1-(furan-2-yl)-1-(4-propylphenoxy)butan-2-amine

C17H23NO2 — CID 62549234

IUPAC1-(furan-2-yl)-1-(4-propylphenoxy)butan-2-amine
SMILESCCCc1ccc(OC(c2ccco2)C(N)CC)cc1
InChIInChI=1S/C17H23NO2/c1-3-6-13-8-10-14(11-9-13)20-17(15(18)4-2)16-7-5-12-19-16/h5,7-12,15,17H,3-4,6,18H2,1-2H3
InChIKeyNDXYFTXWBROYNC-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.09
Rot. Bonds7

About 1-(furan-2-yl)-1-(4-propylphenoxy)butan-2-amine

1-(furan-2-yl)-1-(4-propylphenoxy)butan-2-amine (PubChem CID 62549234) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(furan-2-yl)-1-(4-propylphenoxy)butan-2-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-1-(4-propylphenoxy)butan-2-amine
PubChem CID62549234
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-(furan-2-yl)-1-(4-propylphenoxy)butan-2-amine
SMILESCCCc1ccc(OC(c2ccco2)C(N)CC)cc1
InChIInChI=1S/C17H23NO2/c1-3-6-13-8-10-14(11-9-13)20-17(15(18)4-2)16-7-5-12-19-16/h5,7-12,15,17H,3-4,6,18H2,1-2H3
InChIKeyNDXYFTXWBROYNC-UHFFFAOYSA-N
XLogP4.09
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-butylphenoxy)-1-(furan-2-yl)butan-2-amine
CID 115492270
1-(3-bromo-4-fluorophenoxy)-1-(furan-2-yl)butan-2-amine
CID 83232350
furan-2-yl-(4-propylphenyl)methanamine
CID 43464285
1-(5-bromothiophen-2-yl)-1-(4-propylphenoxy)butan-2-amine
CID 63461783
1,1,1-trifluoro-2-(4-propylphenoxy)pentan-3-amine
CID 62548031
1-(3-chloro-2-fluorophenoxy)-1-(furan-2-yl)butan-2-amine
CID 116688786
1-(5-bromo-2,3-difluorophenoxy)-1-(furan-2-yl)butan-2-amine
CID 107097759
(1S)-1-(furan-2-yl)propan-1-amine;hydrochloride
CID 11615221
1-(cyclopentylmethoxy)-1-(furan-2-yl)butan-2-amine
CID 66324500
2-(4-ethoxyphenyl)-1-(furan-2-yl)ethanamine
CID 22299339
1-(3-methylbutan-2-yloxy)-4-propylbenzene
CID 147712786
1-(furan-2-yl)butan-1-amine;hydrochloride
CID 86262899

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-1-(4-propylphenoxy)butan-2-amine?
The IUPAC name of 1-(furan-2-yl)-1-(4-propylphenoxy)butan-2-amine (CID 62549234) is 1-(furan-2-yl)-1-(4-propylphenoxy)butan-2-amine.
What is the SMILES notation for 1-(furan-2-yl)-1-(4-propylphenoxy)butan-2-amine?
The canonical SMILES for 1-(furan-2-yl)-1-(4-propylphenoxy)butan-2-amine is CCCc1ccc(OC(c2ccco2)C(N)CC)cc1.
What is the InChIKey of 1-(furan-2-yl)-1-(4-propylphenoxy)butan-2-amine?
The InChIKey is NDXYFTXWBROYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-6-13-8-10-14(11-9-13)20-17(15(18)4-2)16-7-5-12-19-16/h5,7-12,15,17H,3-4,6,18H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-1-(4-propylphenoxy)butan-2-amine?
1-(furan-2-yl)-1-(4-propylphenoxy)butan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-1-(4-propylphenoxy)butan-2-amine is sourced from PubChem (CID 62549234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).